4-[bis(2-bromoethyl)amino]phenol; 2-propan-2-ylbenzoic acid

Systemtic Name: 4-[bis(2-bromoethyl)amino]phenol; 2-propan-2-ylbenzoic acid Openeye Name: 4-[bis(2-bromoethyl)amino]phenol; 2-isopropylbenzoic acid CAS Name: 4-[bis(2-bromoethyl)amino]phenol; 2-propan-2-ylbenzoic acid IUPAC Name: 4-[bis(2-bromoethyl)amino]phenol; 2-propan-2-ylbenzoic acid Traditional Name: 4-[bis(2-bromoethyl)amino]phenol; 2-isopropylbenzoic acid Formula: C20H25Br2NO3 MolecularWeight: 487.2254

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1C(=O)O.C1=CC(=CC=C1N(CCBr)CCBr)O

Isomeric SMILES

CC(C)C1=CC=CC=C1C(=O)O.C1=CC(=CC=C1N(CCBr)CCBr)O

InChI

InChI=1S/C10H13Br2NO.C10H12O2/c11-5-7-13(8-6-12)9-1-3-10(14)4-2-9;1-7(2)8-5-3-4-6-9(8)10(11)12/h1-4,14H,5-8H2;3-7H,1-2H3,(H,11,12)